SCHEMBL25909307

SCHEMBL25909307

CC(C)(C)OC(=O)Nc1ccc(I)c2c1COC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
AAK1 Q2M2I8 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP17A1 P05093 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
METAP1 P53582 1/20 0.34
PRKDC P78527 1/20 0.33
CNR2 P34972 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31182208 0.83 AAK1 (0.40) GAAAAK1NFKB1NFKB2RELA
SCHEMBL17873258 0.83 AAK1 (0.40) GAAAAK1NFKB1NFKB2RELA
SCHEMBL28167978 0.83 GAA (0.39) GAAAAK1NFKB1NFKB2RELA
SCHEMBL17873256 0.81 ATR (0.44) GAAAAK1NFKB1NFKB2RELA
SCHEMBL17873261 0.78 RXFP1 (0.41) GAARXFP1METAP1LMNAPOLB
SCHEMBL31363518 0.77 BRD9 (0.33) GAAAAK1CYP17A1CA12CA1
SCHEMBL25909101 0.75 CYP17A1 (0.37) GAACYP17A1CA12CA1CA9
SCHEMBL25907603 0.75 CYP17A1 (0.37) GAAAAK1CYP17A1CA12CA1
SCHEMBL23092992 0.75 ELANE (0.40) AAK1CYP17A1CA12CA1CA9
SCHEMBL26530369 0.72 ALOX5 (0.36) GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US disclosed
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US disclosed
EP-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CYP3A43, ABCB1, ABCB11 GAA 178/4885AAK1 4824/4885NFKB1 3451/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.